#MD System 2.0 @Title neb0_image05 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.212949102327 0.527281899478 0.322500915751} C1 1 1 14 {} {0.266859013525 0.490281676603 0.280732956215} Si1 2 1 14 {} {0.166246778481 0.535705965507 0.241534950934} Si2 3 1 8 {} {0.279451837756 0.523274257587 0.182882115972} O1 4 1 8 {} {0.306818462538 0.510606257404 0.351681910323} O2 5 1 6 {} {0.264891289545 0.397094936044 0.273709133417} C2 6 1 6 {} {0.134702258202 0.456018718403 0.223798222121} C3 7 1 8 {} {0.190711122255 0.561647979499 0.147236838885} O3 8 1 8 {} {0.130891182971 0.596807332884 0.268537198411} O4 9 1 14 {} {0.358270099456 0.539508936497 0.356778448741} Si3 10 1 7 {} {0.392842502616 0.476473196337 0.398545671996} N1 11 1 14 {} {0.447116279853 0.474660925977 0.356852154176} Si4 12 1 14 {} {0.37264574372 0.422302644052 0.481304774136} Si5 13 1 7 {} {0.343529745732 0.460174988799 0.566700290116} N2 14 1 7 {} {0.467987499877 0.555122167623 0.361347856272} N3 15 1 1 {} {0.201324029424 0.498660524368 0.380974622492} H1 16 1 1 {} {0.220796169203 0.578127228827 0.346660223654} H2 17 1 1 {} {0.253957635633 0.543493563571 0.15212535269} H3 18 1 1 {} {0.259734364341 0.374078634617 0.339523353145} H4 19 1 1 {} {0.296606060235 0.378046646514 0.246964791588} H5 20 1 1 {} {0.238109946294 0.380013680212 0.229001534547} H6 21 1 1 {} {0.108189458909 0.462262922191 0.173746584396} H7 22 1 1 {} {0.119158951449 0.438313140059 0.285990746932} H8 23 1 1 {} {0.15709595 0.416211277193 0.200176445297} H9 24 1 1 {} {0.172200950932 0.584718124734 0.104040820285} H10 25 1 1 {} {0.102506517846 0.584470763815 0.294594428711} H11 26 1 1 {} {0.374694011837 0.559468126279 0.266965521942} H12 27 1 1 {} {0.357193933133 0.598333793595 0.417862295184} H13 28 1 1 {} {0.471506704888 0.422990030394 0.409883731282} H14 29 1 1 {} {0.449562260506 0.457207751387 0.260154273123} H15 30 1 1 {} {0.341225951938 0.373232149621 0.440939340763} H16 31 1 1 {} {0.412162407694 0.388133941183 0.520422941356} H17 32 1 1 {} {0.311910978526 0.476679680657 0.555640034064} H18 33 1 1 {} {0.359547989841 0.490616268956 0.610625586074} H19 34 1 1 {} {0.492144912729 0.569358212695 0.317406493291} H20 35 1 1 {} {0.473650897572 0.577045323436 0.421539227663} H21 36 1 6 {} {0.647505644106 0.638728857612 0.490097319466} C4 37 1 14 {} {0.608227622189 0.574910975793 0.442568436613} Si6 38 1 14 {} {0.644915501381 0.725242943817 0.445207294681} Si7 39 1 8 {} {0.605204504176 0.583141108684 0.333025074994} O5 40 1 8 {} {0.627536001192 0.49998464533 0.466494230245} O6 41 1 6 {} {0.551601414072 0.581271932194 0.493054244337} C5 42 1 6 {} {0.597340335035 0.775669950876 0.490019685109} C6 43 1 8 {} {0.640581958856 0.714443181238 0.334805189575} O7 44 1 8 {} {0.692560771775 0.76659358066 0.460884190889} O8 45 1 14 {} {0.638153175535 0.422120594026 0.438710449926} Si8 46 1 7 {} {0.592765950985 0.369806968159 0.456458595959} N4 47 1 14 {} {0.573214898139 0.320789556045 0.36831472151} Si9 48 1 14 {} {0.568124529381 0.366607146763 0.563508169475} Si10 49 1 7 {} {0.603259927413 0.385335977966 0.649765005718} N5 50 1 7 {} {0.608186285993 0.257871819326 0.330772527694} N6 51 1 1 {} {0.64316673498 0.640072801729 0.563112148585} H22 52 1 1 {} {0.681510739667 0.619909402729 0.47766275038} H23 53 1 1 {} {0.617732786362 0.625232440498 0.310843478398} H24 54 1 1 {} {0.551314673169 0.571284091993 0.56523271593} H25 55 1 1 {} {0.530479834548 0.543259634645 0.461155884952} H26 56 1 1 {} {0.536587900056 0.630669970101 0.480950247911} H27 57 1 1 {} {0.596571459828 0.826093334586 0.460593768348} H28 58 1 1 {} {0.599383978087 0.781199268908 0.562962134175} H29 59 1 1 {} {0.565273299765 0.751537343468 0.474827851653} H30 60 1 1 {} {0.648636892022 0.751800965533 0.296823565782} H31 61 1 1 {} {0.692885712003 0.801629944619 0.50556568819} H32 62 1 1 {} {0.649616921158 0.41707493317 0.341869039629} H33 63 1 1 {} {0.677267477488 0.401799945313 0.49341707341} H34 64 1 1 {} {0.531457347147 0.288741378394 0.401127435885} H35 65 1 1 {} {0.565048088606 0.36351522614 0.288807681995} H36 66 1 1 {} {0.5308164168 0.416033493084 0.569679741727} H37 67 1 1 {} {0.550889091453 0.297103104835 0.574973179966} H38 68 1 1 {} {0.609839320625 0.433862326465 0.665128883654} H39 69 1 1 {} {0.630288093188 0.356298775376 0.663326469769} H40 70 1 1 {} {0.632817311321 0.269083269501 0.286602902942} H41 71 1 1 {} {0.617722252064 0.220158395098 0.372078582303} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end